Materials Literature
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We propose a simple mean-field theory for the structure of ring polymer melts. By combining the notion of topological volume fraction and a classical van der Waals theory of fluids, we take into account many-body effects of topological origin in dense systems. We predict that although the compact statistics with the F…
Cellulose biofiber-based graft copolymers (cellulose-g-PMMA) were rapidly synthesized under the influence of microwave radiation (MWR) through free radical–induced graft copolymerization of methyl methacrylate (MMA) onto modified cellulosic biofibers in aqueous medium. The effect of different polymerization parameters…
One-stage synthesis of cagelike porous polymeric microspheres and their application as catalyst scaffold of Pd nanoparticles are discussed. The synthesis of cagelike porous polymeric microspheres is achieved by W/O/W emulsion polymerization of a surfactant monomer of N -(4-vinylbenzyl)- N, N -dibutylamine hydrochlorid…
We study the superconducting state in recently discovered high-${T}_{\mathrm{c}}$ superconductor ${\mathrm{K}}_{x}$Fe${}_{2}$Se${}_{2}$ based on the ten-orbital Hubbard-Holstein model without hole pockets. When the Coulomb interaction is large, a spin-fluctuation-mediated $d$-wave state appears due to the nesting betw…
A new magnetic nanoparticle was synthesized in the form of Gd(3+)-chelated Fe(3)O(4)@SiO(2). The Fe(3)O(4) nanoparticle was octahedron-structured, was highly magnetic (∼94 emu/g), and was the core of an encapsulating mesoporous silica shell. DOTA-NHS molecules were anchored to the interior channels of the porous silic…
The spinel cobalt oxide Co3O4 is a magnetic semiconductor containing cobalt ions in Co2+ and Co3+ oxidation states. We have studied the electronic, magnetic and bonding properties of Co3O4 using density functional theory (DFT) at the Generalized Gradient Approximation (GGA), GGA+U, and PBE0 hybrid functional levels. T…
Thick, high-purity semi-insulating (SI)homoepitaxial layers on Si-face 4H-SiC weregrownsystematically, with resistivity \geq 109Ω-cmby maintaining high C/Si ratios 1.3-15 during growth.Comparison of secondary ion mass spectra betweenlow-dopedepilayers grown at C/Si ratio<1.3andSI-epilayers grown at C/Si ratio>1.3 show…
We have performed first principles density functional theory calculations on TiC alloyed on the Ti sublattice with 3d transition metals ranging from Sc to Zn. The theory is accompanied with experimental investigations, both as regards materials synthesis as well as characterization. Our results show that by dissolving…
The ring-opening polymerization of l, l -lactide with 2-ethylhexanoic acid tin(II) salt as catalyst, and 1-dodecanol as cocatalyst, is investigated at temperatures ranging from 140 to 180 °C and various operating conditions such as different ratios of monomer to catalyst as well as catalyst to cocatalyst amounts. Aver…
The adsorption properties of water on the stoichiometric (101) surface of anatase TiO 2 in the temperature range 160–400 K has been studied by synchrotron radiation core level photoelectron spectroscopy. O 1s spectra give clear evidence for the formation of a first layer of water that comprises both H 2 O and OH. The…
The electrospinning of polymer-free nanofibers from highly concentrated (160%, w/v) aqueous solutions of hydroxypropyl-β-cyclodextrin (HPβCD) and its inclusion complexes with triclosan (HPβCD/triclosan-IC) was achieved successfully. The dynamic light scattering (DLS) and rheology measurements indicated that the presen…
The effect of atomic oxygen adsorption on the structure and electronic properties of monolayer graphite (MG or graphene) grown on Pt(111) and Ir(111) has been studied using X-ray photoelectron spectroscopy, near-edge X-ray absorption fine structure spectroscopy, and scanning tunneling microscopy. For comparison, the a…
Effective quantum field theoretical continuum models for graphene are investigated. The models include a complex scalar field and a vector gauge field. Different gauge theories are considered and their gap patterns for the scalar, vector, and fermion excitations are investigated. Different gauge groups lead to differe…
We report an intracellular pH sensor based on surface enhanced Raman scattering (SERS) using the hydrochloric acid (HCl) treated gold nanorods (GNRs) as the SERS substrates and p-aminothiophenol (pATP) as the Raman reporter. Using the HCl treated GNRs previously reported by us, the biocompatibility and the SERS perfor…
The electronic structure of graphene antidot lattices (GALs) with zigzag hole edges was studied with first-principles calculations. It was revealed that half of the possible GAL patterns were unintentionally missed in the usual construction models used in earlier studies. With the complete models, the bandgap of the G…
The band gap and redox potential of semiconductor nanocrystals are two quantities of primary importance for their applications in energy conversion devices. Herein, we report on covalent functionalization of colloidal graphene quantum dots through a solution-chemistry approach and studies of their band gaps and redox…
A simple lithiation reaction was developed to covalently attach monosubstituted C60 onto graphene nanosheets. Detailed spectroscopic (e.g., Fourier transform infrared, Raman) analyses indicated that C60 molecules were covalently attached onto the graphene surface through monosubstitution. Transmission electron microsc…
Further progress in the applications of self-assembled nanostructures critically depends on developing a fundamental understanding of the relation between the properties of nanoparticle ensembles and their time-dependent structural characteristics. Following dynamic generation of hot-spots in the self-assembled chains…
A novel, high-capacity oil sorbent consisting of polyvinyl chloride (PVC)/polystyrene (PS) fiber was prepared by an electrospinning process. The sorption capacity, oil/water selectivity, and sorption mechanism of the PVC/PS sorbent were studied. The results showed that the sorption capacities of the PVC/PS sorbent for…
Artificial neural networks represent an accurate and efficient tool to construct high-dimensional potential-energy surfaces based on first-principles data. However, so far the main drawback of this method has been the limitation to a single atomic species. We present a generalization to compounds of arbitrary chemical…